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Ligand

NameCHEMBL227828
Molecular formulaC29H29N3O4S
IUPAC name(3R)-N-[(4R)-7-(aminomethyl)-3,4-dihydro-2H-chromen-4-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
Molecular weight515.628
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50209721
(R)-N-((R)-7-(aminomethyl)chroman-4-yl)-3-(naphthalene-3-sulfonamido)-3-phenylpropanamide
Inchi KeyAPFXRXGTYBRQJC-KAYWLYCHSA-N
Inchi IDInChI=1S/C29H29N3O4S/c30-19-20-10-13-25-26(14-15-36-28(25)16-20)31-29(33)18-27(22-7-2-1-3-8-22)32-37(34,35)24-12-11-21-6-4-5-9-23(21)17-24/h1-13,16-17,26-27,32H,14-15,18-19,30H2,(H,31,33)/t26-,27-/m1/s1
PubChem CID16220913
ChEMBLCHEMBL227828
IUPHARN/A
BindingDB50209721
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
10940B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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